CID 21867975

113989-09-6

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

CC1=CC(=CN=C1C)C=C

InChI

InChI=1S/C9H11N/c1-4-9-5-7(2)8(3)10-6-9/h4-6H,1H2,2-3H3

InChIKey

LKLNVHRUXQQEII-UHFFFAOYSA-N

Compound name

5-ethenyl-2,3-dimethylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2361
Patents: 133.08914 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.09642	125.3
[M+Na]+	156.07836	135.1
[M-H]-	132.08186	128.2
[M+NH4]+	151.12296	146.6
[M+K]+	172.05230	132.6
[M+H-H2O]+	116.08640	119.6
[M+HCOO]-	178.08734	148.9
[M+CH3COO]-	192.10299	175.4
[M+Na-2H]-	154.06381	132.5
[M]+	133.08859	125.9
[M]-	133.08969	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe